3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol

C10H9ClN2O3 — CID 117353908

IUPAC3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
SMILESCOc1c(O)ccc(Cl)c1-c1cnoc1N
InChIInChI=1S/C10H9ClN2O3/c1-15-9-7(14)3-2-6(11)8(9)5-4-13-16-10(5)12/h2-4,14H,12H2,1H3
InChIKeyNLCXASFQIOVFHK-UHFFFAOYSA-N
MW240.65 g/mol
LogP2.29
Rot. Bonds2

About 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol

3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol (PubChem CID 117353908) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
PubChem CID117353908
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
SMILESCOc1c(O)ccc(Cl)c1-c1cnoc1N
InChIInChI=1S/C10H9ClN2O3/c1-15-9-7(14)3-2-6(11)8(9)5-4-13-16-10(5)12/h2-4,14H,12H2,1H3
InChIKeyNLCXASFQIOVFHK-UHFFFAOYSA-N
XLogP2.29
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol (CID 117353908) is 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol is COc1c(O)ccc(Cl)c1-c1cnoc1N.
What is the InChIKey of 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol?
The InChIKey is NLCXASFQIOVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-15-9-7(14)3-2-6(11)8(9)5-4-13-16-10(5)12/h2-4,14H,12H2,1H3.
What are the key properties of 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol?
3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol has a molecular weight of 240.65 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol is sourced from PubChem (CID 117353908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).